2-[[5-methyl-4-(2-oxidanylideneoxolan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-methyl-4-(2-oxidanylideneoxolan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-methyl-4-(2-oxotetrahydrofuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-methyl-4-(2-oxo-3-oxolanyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-methyl-4-(2-oxooxolan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-ketotetrahydrofuran-3-yl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C9H11N3O4S MolecularWeight: 257.26634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCOC2=O)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C2CCOC2=O)SCC(=O)O

InChI

InChI=1S/C9H11N3O4S/c1-5-10-11-9(17-4-7(13)14)12(5)6-2-3-16-8(6)15/h6H,2-4H2,1H3,(H,13,14)